OpenEye is pleased to announce that FastROCS is joining the
pantheon of OpenEye toolkits as FastROCS TK. Shape technology
continues to be at the center of OpenEye’s scientific mission, and
the unprecedented performance gains of FastROCS TK continues to enable
new science to be explored throughout the molecular modeling community.

If your FastROCS license was created before May 19th, 2015,
please contact sales@eyesopen.com for a new license.
FastROCS TK requires that the relevant “python” feature be
turned on for access to FastROCS TK.

In addition to extending the capability of OpenEye’s toolkits, improving the
performance of their existing functionalities is also important to us.
We continually work to increase the performance of the molecule readers
in OEChem TK to accommodate our field’s ever-growing molecule databases.
Significant effort has been made to accelerate reading molecules
into OEMol.
The graph below illustrates the overall results of the code optimizations
performed since the previous release (2015.Jun).

Performance improvement in C++. See OEChem TK‘s detailed release notes for the other languages.

The 2015.Feb release introduced the
visualization of receptor-ligand interactions by Grapheme TK.
The following 2015.Jun release
provided automatic identification of ligands by OEBio TK.
This release extends these capabilities by providing read-only access to the
fragment network data structure that can store interactions perceived
by OEDocking TK.
Several classes and predicates that provide convenient ways to examine
various interactions types between a ligand and a protein have been
also introduced.